0  B9R0.46  CCCCSCC(=O)OC 098267 [0,0,0,0,0,0|2,0,0]=2
1  B9R0.46  COCCSCC(=O)OC 102096 [0,0,0,0,0,0|3,0,0]=3
2  B8R0.4  CCCCCNCCN 104769 [1,0,0,0,0,0|2,0,1]=4
3  B10R0.1  CCOC(=O)CCCCCI 103089 [0,1,0,0,0,0|1,0,0]=2
4  B10R0.74  CCOCCSCC(=O)OC 095156 [0,1,0,0,0,0|2,0,0]=3
5  B10R1.2  CCC1CCCC(C)N1C 032676 [0,0,0,1,0,0|2,0,1]=4
6  B10R1.15  CNC(=O)C1CCCCC1 102184 [0,0,0,1,0,0|1,0,0]=2
7  B10R1.27  O=C(CCl)NC1CCCC1 039041 [0,0,0,1,0,0|2,0,0]=3
8  B7R0.1  CCCNCCNC 024573 [2,0,0,0,0,0|2,0,0]=4
9  B7R0.1  CNCCCCCO 103536 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.1  NCCCCCCN 098831 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.3  CCCCC(N)CC 214311 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.3  CNC(=O)CCOC 091206 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.4  CCCCOC(C)=O 101599 [2,0,0,0,0,0|1,0,0]=3
14  B7R0.4  COCCCC(=O)O 234024 [2,0,0,0,0,0|2,0,0]=4
15  B9R0.45  CCCCCNCCNC 024575 [1,1,0,0,0,0|1,0,1]=4
16  B9R0.24  CCC(C)SCC(=O)OC 098287 [1,1,0,0,0,0|2,0,0]=4
17  B11R0.5  CCOCC(=O)CC(=O)OCC 061714 [0,2,0,0,0,0|1,0,1]=4
18  B11R0.40  COC(=O)CCCCCN=C=O 009982 [0,2,0,0,0,0|1,0,1]=4
19  B11R0.42  CCCCCCCC(=O)N(C)C 219936 [0,2,0,0,0,0|1,0,0]=3
20  B9R1.6  O=S([O-])C1CCCCC1 070725 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O 104319 [1,0,0,1,0,0|2,0,0]=4
22  B11R1.40  COC(=O)CC1COCCN1 040210 [0,1,0,1,0,0|2,0,0]=4
23  B11R1.20  CC(C)OC1CCC(=O)CC1 209199 [0,1,0,1,0,0|1,0,0]=3
24  B11R1.852  O=C(CCl)N1CCCCCC1 042002 [0,1,0,1,0,0|1,0,0]=3
25  B11R2.513  OC1CCCCCC2CC12 195643 [0,0,0,2,0,0|0,0,2]=4